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3-Isothiazoline-4-carbonitrile, 3-chloro-2-methyl-5-oxo-
SpectraBase Compound ID 4tlsz7GVWt0
InChI InChI=1S/C5H3ClN2OS/c1-8-4(6)3(2-7)5(9)10-8/h1H3
InChIKey UXEHXEKHWCYWCB-UHFFFAOYSA-N
Mol Weight 174.6 g/mol
Molecular Formula C5H3ClN2OS
Exact Mass 173.965462 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID ETDzHFgu6a6
Name 3-Isothiazoline-4-carbonitrile, 3-chloro-2-methyl-5-oxo-
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C5H3ClN2OS
InChI InChI=1S/C5H3ClN2OS/c1-8-4(6)3(2-7)5(9)10-8/h1H3
InChIKey UXEHXEKHWCYWCB-UHFFFAOYSA-N
Molecular Weight 174.605 g/mol
SMILES C=1(N(SC(C1C#N)=O)C)Cl
SPLASH splash10-00b9-9400000000-02a18f7595b5a197d08b
Source of Spectrum AD-0-2532-0
Synonyms 3-Chloranyl-2-methyl-5-oxidanylidene-1,2-thiazole-4-carbonitrile 3-Chloro-2-methyl-5-oxo-1,2-thiazole-4-carbonitrile 3-Chloro-2-methyl-5-oxo-2,5-dihydro-4-isothiazolecarbonitrile 3-Chloro-2-methyl-5-oxo-4-isothiazolecarbonitrile 3-Chloro-2-methyl-5-oxo-isothiazole-4-carbonitrile 3-Chloro-5-keto-2-methyl-3-isothiazoline-4-carbonitrile
Wiley ID 1428534